2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide

C22H35NO2 — CID 90676159

IUPAC2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)COC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35NO2/c1-15(2)5-4-6-16(3)7-8-23-21(24)14-25-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22H,4,6,8-14H2,1-3H3,(H,23,24)/b16-7+
InChIKeyAJOXUKSZUUHZBI-FRKPEAEDSA-N
MW345.53 g/mol
LogP4.64
Rot. Bonds8

About 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide

2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide (PubChem CID 90676159) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide.

Molecular Properties

Compound Name2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide
PubChem CID90676159
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)COC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35NO2/c1-15(2)5-4-6-16(3)7-8-23-21(24)14-25-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22H,4,6,8-14H2,1-3H3,(H,23,24)/b16-7+
InChIKeyAJOXUKSZUUHZBI-FRKPEAEDSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide?
The IUPAC name of 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide (CID 90676159) is 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide.
What is the SMILES notation for 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide?
The canonical SMILES for 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide is CC(C)=CCC/C(C)=C/CNC(=O)COC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide?
The InChIKey is AJOXUKSZUUHZBI-FRKPEAEDSA-N. The full InChI is InChI=1S/C22H35NO2/c1-15(2)5-4-6-16(3)7-8-23-21(24)14-25-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22H,4,6,8-14H2,1-3H3,(H,23,24)/b16-7+.
What are the key properties of 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide?
2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide has a molecular weight of 345.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyloxy)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide is sourced from PubChem (CID 90676159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).